Home Nitriles 3-Bromobutyronitrile

3-Bromobutyronitrile

CAS No.:
20965-20-2
Catalog Number:
AG002KCA
Molecular Formula:
C4H6BrN
Molecular Weight:
148.0011
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
90%
In Stock USA
United States
$44
- +
5g
90%
In Stock USA
United States
$138
- +
25g
90%
In Stock USA
United States
$413
- +
Product Description
Catalog Number:
AG002KCA
Chemical Name:
3-Bromobutyronitrile
CAS Number:
20965-20-2
Molecular Formula:
C4H6BrN
Molecular Weight:
148.0011
MDL Number:
MFCD00039488
IUPAC Name:
3-bromobutanenitrile
InChI:
InChI=1S/C4H6BrN/c1-4(5)2-3-6/h4H,2H2,1H3
InChI Key:
MBXSHBIQMDKTEW-UHFFFAOYSA-N
SMILES:
CC(CC#N)Br
Properties
Complexity:
70.9  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.968g/mol
Formal Charge:
0
Heavy Atom Count:
6  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
148.003g/mol
Monoisotopic Mass:
146.968g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties